4-ethyl-N-[3-(methylsulfanyl)phenyl]-1,5-dioxo-2,3,4,5-tetrahydropyrrolo[1,2-a]quinazoline-3a(1H)-carboxamide
Chemical Structure Depiction of
4-ethyl-N-[3-(methylsulfanyl)phenyl]-1,5-dioxo-2,3,4,5-tetrahydropyrrolo[1,2-a]quinazoline-3a(1H)-carboxamide
4-ethyl-N-[3-(methylsulfanyl)phenyl]-1,5-dioxo-2,3,4,5-tetrahydropyrrolo[1,2-a]quinazoline-3a(1H)-carboxamide
Compound characteristics
| Compound ID: | Y042-4480 |
| Compound Name: | 4-ethyl-N-[3-(methylsulfanyl)phenyl]-1,5-dioxo-2,3,4,5-tetrahydropyrrolo[1,2-a]quinazoline-3a(1H)-carboxamide |
| Molecular Weight: | 395.48 |
| Molecular Formula: | C21 H21 N3 O3 S |
| Smiles: | CCN1C(c2ccccc2N2C(CCC12C(Nc1cccc(c1)SC)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6568 |
| logD: | 2.6568 |
| logSw: | -3.4322 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.199 |
| InChI Key: | CRVDTFHYWQPNPX-OAQYLSRUSA-N |